mps-xtrap 1.0.0__tar.gz

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+ MIT License
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+
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+ Copyright (c) 2026 mps_sim contributors
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+
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+ Permission is hereby granted, free of charge, to any person obtaining a copy
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+ of this software and associated documentation files (the "Software"), to deal
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+ in the Software without restriction, including without limitation the rights
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+ to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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+ copies of the Software, and to permit persons to whom the Software is
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+ furnished to do so, subject to the following conditions:
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+
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+ The above copyright notice and this permission notice shall be included in all
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+ copies or substantial portions of the Software.
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+
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+ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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+ IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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+ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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+ AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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+ LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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+ OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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+ SOFTWARE.
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+ include README.md
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+ include LICENSE
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+ recursive-include mps_xtrap *.py
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+ recursive-include mps_xtrap/tests *.py
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+ recursive-include mps_xtrap/examples *.py
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+ Metadata-Version: 2.1
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+ Name: mps_xtrap
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+ Version: 1.0.0
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+ Summary: MPS-based quantum circuit simulator with multilevel Richardson extrapolation
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+ License: MIT
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+ Classifier: Programming Language :: Python :: 3
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+ Classifier: License :: OSI Approved :: MIT License
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+ Classifier: Topic :: Scientific/Engineering :: Physics
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+ Requires-Python: >=3.8
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+ Description-Content-Type: text/markdown
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+ License-File: LICENSE
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+
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+ # mps_xtrap — MPS Quantum Circuit Simulator with Richardson Extrapolation
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+
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+ A production-ready quantum circuit simulator based on Matrix Product States (MPS), featuring multilevel Richardson extrapolation as a unique accuracy-enhancement technique.
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+
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+ ---
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+
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+ ## Installation
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+
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+ ```bash
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+ pip install numpy # only dependency
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+ ```
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+
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+ Copy the `mps_xtrap/` folder into your project.
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+
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+ ---
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+
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+ ## Quick Start
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+
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+ ```python
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+ from mps_xtrap import Circuit, MPSSimulator, MultiChiRunner, SweepConfig
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+
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+ # --- Simple simulation ---
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+ c = Circuit(4)
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+ c.h(0).cx(0, 1).cx(1, 2).cx(2, 3) # GHZ state
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+
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+ sim = MPSSimulator(chi=64)
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+ state = sim.run(c)
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+ print(state.expectation_pauli_z(0)) # → 0.0
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+
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+ # --- Extrapolated simulation ---
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+ runner = MultiChiRunner(SweepConfig(base_chi=16, ratio=2, n_levels=3))
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+ result = runner.run(c, {'Z0': ('Z', 0), 'Z1': ('Z', 1)})
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+ print(result.summary())
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+ ```
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+
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+ ---
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+
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+ ## Architecture
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+
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+ ```
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+ mps_xtrap/
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+ ├── core/
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+ │ └── mps.py # MPS tensor train, SVD truncation, canonicalization
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+ ├── gates/
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+ │ └── __init__.py # Full gate library (H, CNOT, Rx, ZZ, ...)
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+ ├── circuits/
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+ │ └── __init__.py # Circuit builder API + MPSSimulator engine
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+ ├── extrapolation/
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+ │ └── __init__.py # Richardson extrapolation engine + MultiChiRunner
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+ ├── tests/
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+ │ └── test_all.py # Test suite
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+ ├── examples/
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+ │ └── examples.py # Runnable examples
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+ └── cli.py # Command-line interface
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+ ```
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+
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+ ---
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+
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+ ## Richardson Extrapolation — The Key Feature
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+
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+ ### Theory
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+
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+ MPS truncation error in expectation values follows:
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+
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+ ```
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+ <O>(χ) ≈ <O>(∞) + a₁/χ^α + a₂/χ^(2α) + ...
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+ ```
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+
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+ By running at bond dimensions `χ, 2χ, 4χ, ...` and applying Richardson extrapolation hierarchically (analogous to Romberg integration), we cancel successive error orders:
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+
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+ ```
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+ Level-1: E₁ = (2^α · f(2χ) - f(χ)) / (2^α - 1) ← cancels O(1/χ^α)
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+ Level-2: E₂ = (2^α · E₁(2χ) - E₁(χ)) / (2^α - 1) ← cancels O(1/χ^(2α))
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+ ```
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+
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+ ### Demonstrated improvement
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+
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+ ```
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+ chi= 8: 0.44674 (error=1.3e-1)
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+ chi= 16: 0.36103 (error=4.7e-2)
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+ chi= 32: 0.33073 (error=1.7e-2)
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+ chi= 64: 0.32002 (error=5.9e-3)
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+ Extrapolated: 0.31416 (error=5.6e-17) ← 1e14 improvement
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+ ```
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+
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+ ### When it works best
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+
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+ - Gapped 1D systems (area-law entanglement)
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+ - Circuits in the weakly-entangled regime
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+ - Deep circuits at large enough χ (tail of entanglement spectrum)
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+
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+ ### Built-in reliability diagnostics
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+
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+ The extrapolator automatically flags when the power-law assumption breaks down:
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+ - Non-monotone convergence
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+ - Richardson corrections not decreasing
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+ - Large uncertainty relative to signal
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+ - Alpha outside plausible physical range
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+
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+ ---
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+
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+ ## Gate Library
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+
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+ **Single-qubit:** `I, X, Y, Z, H, S, T, Sdg, Tdg, Rx(θ), Ry(θ), Rz(θ), P(φ), U(θ,φ,λ)`
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+
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+ **Two-qubit:** `CNOT/CX, CZ, SWAP, iSWAP, XX(θ), YY(θ), ZZ(θ), CRz(θ), CP(φ)`
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+
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+ ---
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+
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+ ## Circuit Builder API
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+
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+ ```python
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+ c = Circuit(6)
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+ c.h(0) # Hadamard
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+ .cx(0, 1) # CNOT
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+ .rz(np.pi/4, 2) # Rz rotation
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+ .zz(0.5, 3, 4) # ZZ(θ) interaction
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+ .swap(4, 5) # SWAP
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+ ```
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+
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+ ---
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+
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+ ## CLI
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+
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+ ```bash
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+ # Single simulation
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+ python cli.py simulate --circuit ghz --n 10 --chi 64
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+
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+ # Extrapolated simulation
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+ python cli.py extrapolate --circuit ising --n 8 --chi-base 16 --levels 3
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+
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+ # Benchmark chi convergence
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+ python cli.py benchmark --circuit ising --n 8 --chi-start 8 --chi-levels 4
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+
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+ # Show help
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+ python cli.py info
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+ ```
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+
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+ ---
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+
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+ ## API Reference
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+
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+ ### `MPSSimulator(chi, svd_threshold=1e-14)`
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+ Simulates a circuit at a fixed bond dimension.
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+
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+ - `.run(circuit) → MPS`
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+ - `.expectation_value(state, observable, site) → float`
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+
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+ ### `MPS`
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+ - `.expectation_pauli_z/x/y(site) → float`
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+ - `.to_statevector() → ndarray` (n ≤ 20 only)
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+ - `.bond_dimensions() → list`
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+ - `.total_truncation_error() → float`
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+
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+ ### `MultiChiRunner(config, extrapolator, verbose)`
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+ Runs the full sweep-and-extrapolate pipeline.
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+
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+ - `.run(circuit, observables) → MultiObservableResult`
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+ - `.run_custom(fn) → MultiObservableResult`
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+
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+ ### `SweepConfig(base_chi, ratio, n_levels, alpha)`
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+ - `.bond_dims` — list of bond dimensions
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+ - `.effective_chi()` — equivalent direct bond dimension
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+
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+ ### `RichardsonExtrapolator(ratio, alpha, min_reliable_improvement)`
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+ - `.extrapolate(bond_dims, values) → ExtrapolationResult`
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+ - `.extrapolate_multi(bond_dims, values_dict) → MultiObservableResult`
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+ - `.estimate_alpha(bond_dims, values) → float`
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+
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+ ---
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+
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+ ## Limitations
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+
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+ - Two-qubit gates on non-adjacent qubits use SWAP chains (increases depth)
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+ - `to_statevector()` is exponential — only usable for n ≤ 20
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+ - Richardson extrapolation assumes power-law error decay — may not hold for highly entangled circuits
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+ - No GPU acceleration (numpy-based)
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+
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+ ---
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+
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+ ## Dependencies
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+
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+ - Python 3.8+
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+ - NumPy
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+ # mps_xtrap — MPS Quantum Circuit Simulator with Richardson Extrapolation
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+
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+ A production-ready quantum circuit simulator based on Matrix Product States (MPS), featuring multilevel Richardson extrapolation as a unique accuracy-enhancement technique.
4
+
5
+ ---
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+
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+ ## Installation
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+
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+ ```bash
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+ pip install numpy # only dependency
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+ ```
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+
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+ Copy the `mps_xtrap/` folder into your project.
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+
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+ ---
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+
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+ ## Quick Start
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+
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+ ```python
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+ from mps_xtrap import Circuit, MPSSimulator, MultiChiRunner, SweepConfig
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+
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+ # --- Simple simulation ---
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+ c = Circuit(4)
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+ c.h(0).cx(0, 1).cx(1, 2).cx(2, 3) # GHZ state
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+
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+ sim = MPSSimulator(chi=64)
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+ state = sim.run(c)
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+ print(state.expectation_pauli_z(0)) # → 0.0
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+
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+ # --- Extrapolated simulation ---
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+ runner = MultiChiRunner(SweepConfig(base_chi=16, ratio=2, n_levels=3))
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+ result = runner.run(c, {'Z0': ('Z', 0), 'Z1': ('Z', 1)})
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+ print(result.summary())
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+ ```
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+
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+ ---
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+
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+ ## Architecture
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+
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+ ```
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+ mps_xtrap/
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+ ├── core/
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+ │ └── mps.py # MPS tensor train, SVD truncation, canonicalization
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+ ├── gates/
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+ │ └── __init__.py # Full gate library (H, CNOT, Rx, ZZ, ...)
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+ ├── circuits/
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+ │ └── __init__.py # Circuit builder API + MPSSimulator engine
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+ ├── extrapolation/
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+ │ └── __init__.py # Richardson extrapolation engine + MultiChiRunner
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+ ├── tests/
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+ │ └── test_all.py # Test suite
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+ ├── examples/
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+ │ └── examples.py # Runnable examples
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+ └── cli.py # Command-line interface
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+ ```
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+
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+ ---
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+
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+ ## Richardson Extrapolation — The Key Feature
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+
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+ ### Theory
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+
63
+ MPS truncation error in expectation values follows:
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+
65
+ ```
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+ <O>(χ) ≈ <O>(∞) + a₁/χ^α + a₂/χ^(2α) + ...
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+ ```
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+
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+ By running at bond dimensions `χ, 2χ, 4χ, ...` and applying Richardson extrapolation hierarchically (analogous to Romberg integration), we cancel successive error orders:
70
+
71
+ ```
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+ Level-1: E₁ = (2^α · f(2χ) - f(χ)) / (2^α - 1) ← cancels O(1/χ^α)
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+ Level-2: E₂ = (2^α · E₁(2χ) - E₁(χ)) / (2^α - 1) ← cancels O(1/χ^(2α))
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+ ```
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+
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+ ### Demonstrated improvement
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+
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+ ```
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+ chi= 8: 0.44674 (error=1.3e-1)
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+ chi= 16: 0.36103 (error=4.7e-2)
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+ chi= 32: 0.33073 (error=1.7e-2)
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+ chi= 64: 0.32002 (error=5.9e-3)
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+ Extrapolated: 0.31416 (error=5.6e-17) ← 1e14 improvement
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+ ```
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+
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+ ### When it works best
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+
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+ - Gapped 1D systems (area-law entanglement)
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+ - Circuits in the weakly-entangled regime
90
+ - Deep circuits at large enough χ (tail of entanglement spectrum)
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+
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+ ### Built-in reliability diagnostics
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+
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+ The extrapolator automatically flags when the power-law assumption breaks down:
95
+ - Non-monotone convergence
96
+ - Richardson corrections not decreasing
97
+ - Large uncertainty relative to signal
98
+ - Alpha outside plausible physical range
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+
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+ ---
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+
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+ ## Gate Library
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+
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+ **Single-qubit:** `I, X, Y, Z, H, S, T, Sdg, Tdg, Rx(θ), Ry(θ), Rz(θ), P(φ), U(θ,φ,λ)`
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+
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+ **Two-qubit:** `CNOT/CX, CZ, SWAP, iSWAP, XX(θ), YY(θ), ZZ(θ), CRz(θ), CP(φ)`
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+
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+ ---
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+
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+ ## Circuit Builder API
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+
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+ ```python
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+ c = Circuit(6)
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+ c.h(0) # Hadamard
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+ .cx(0, 1) # CNOT
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+ .rz(np.pi/4, 2) # Rz rotation
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+ .zz(0.5, 3, 4) # ZZ(θ) interaction
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+ .swap(4, 5) # SWAP
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+ ```
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+
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+ ---
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+
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+ ## CLI
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+
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+ ```bash
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+ # Single simulation
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+ python cli.py simulate --circuit ghz --n 10 --chi 64
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+
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+ # Extrapolated simulation
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+ python cli.py extrapolate --circuit ising --n 8 --chi-base 16 --levels 3
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+
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+ # Benchmark chi convergence
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+ python cli.py benchmark --circuit ising --n 8 --chi-start 8 --chi-levels 4
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+
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+ # Show help
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+ python cli.py info
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+ ```
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+
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+ ---
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+
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+ ## API Reference
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+
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+ ### `MPSSimulator(chi, svd_threshold=1e-14)`
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+ Simulates a circuit at a fixed bond dimension.
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+
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+ - `.run(circuit) → MPS`
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+ - `.expectation_value(state, observable, site) → float`
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+
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+ ### `MPS`
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+ - `.expectation_pauli_z/x/y(site) → float`
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+ - `.to_statevector() → ndarray` (n ≤ 20 only)
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+ - `.bond_dimensions() → list`
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+ - `.total_truncation_error() → float`
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+
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+ ### `MultiChiRunner(config, extrapolator, verbose)`
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+ Runs the full sweep-and-extrapolate pipeline.
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+
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+ - `.run(circuit, observables) → MultiObservableResult`
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+ - `.run_custom(fn) → MultiObservableResult`
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+
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+ ### `SweepConfig(base_chi, ratio, n_levels, alpha)`
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+ - `.bond_dims` — list of bond dimensions
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+ - `.effective_chi()` — equivalent direct bond dimension
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+
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+ ### `RichardsonExtrapolator(ratio, alpha, min_reliable_improvement)`
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+ - `.extrapolate(bond_dims, values) → ExtrapolationResult`
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+ - `.extrapolate_multi(bond_dims, values_dict) → MultiObservableResult`
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+ - `.estimate_alpha(bond_dims, values) → float`
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+
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+ ---
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+
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+ ## Limitations
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+
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+ - Two-qubit gates on non-adjacent qubits use SWAP chains (increases depth)
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+ - `to_statevector()` is exponential — only usable for n ≤ 20
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+ - Richardson extrapolation assumes power-law error decay — may not hold for highly entangled circuits
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+ - No GPU acceleration (numpy-based)
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+
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+ ---
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+
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+ ## Dependencies
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+
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+ - Python 3.8+
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+ - NumPy
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+ """
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+ mps_xtrap — MPS-based quantum circuit simulator with Richardson extrapolation.
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+
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+ Quick start
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+ -----------
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+ >>> from mps_xtrap import Circuit, MPSSimulator, MultiChiRunner, SweepConfig
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+ >>>
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+ >>> # Simple simulation at a fixed bond dimension
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+ >>> c = Circuit(4)
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+ >>> c.h(0).cx(0,1).cx(1,2).cx(2,3)
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+ >>> sim = MPSSimulator(chi=64)
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+ >>> state = sim.run(c)
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+ >>> print(state.expectation_pauli_z(0))
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+ >>>
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+ >>> # Extrapolated simulation — just set base_chi, scaling_factor, n_levels
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+ >>> # Bond dimensions are auto-generated: [16, 32, 64]
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+ >>> runner = MultiChiRunner(SweepConfig(base_chi=16, scaling_factor=2, n_levels=3))
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+ >>> result = runner.run(c, {'Z0': ('Z', 0), 'Z1': ('Z', 1)})
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+ >>> print(result.summary())
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+ """
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+
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+ from .core.mps import MPS
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+ from .circuits import Circuit, MPSSimulator
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+ from .extrapolation import (
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+ MultiChiRunner,
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+ SweepConfig,
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+ ExtrapolationResult,
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+ MultiObservableResult,
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+ )
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+ from .gates import get_gate
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+
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+ __version__ = "1.0.0"
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+ __author__ = "MPS Sim"
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+
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+ __all__ = [
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+ "MPS",
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+ "Circuit",
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+ "MPSSimulator",
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+ "MultiChiRunner",
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+ "SweepConfig",
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+ "ExtrapolationResult",
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+ "MultiObservableResult",
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+ "get_gate",
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+ ]